2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide

C10H18F3N3O — CID 77047243

IUPAC2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(CCC(F)(F)F)C1CCCC1)=NO
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)5-6-16(7-9(14)15-17)8-3-1-2-4-8/h8,17H,1-7H2,(H2,14,15)
InChIKeyMVOUVABHCDZHAU-UHFFFAOYSA-N
MW253.27 g/mol
LogP1.93
Rot. Bonds5

About 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide

2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide (PubChem CID 77047243) has the molecular formula C10H18F3N3O and a molecular weight of 253.27 g/mol. Its IUPAC name is 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide
PubChem CID77047243
Molecular FormulaC10H18F3N3O
Molecular Weight253.27 g/mol
Exact Mass253.14
IUPAC Name2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide
SMILESNC(CN(CCC(F)(F)F)C1CCCC1)=NO
InChIInChI=1S/C10H18F3N3O/c11-10(12,13)5-6-16(7-9(14)15-17)8-3-1-2-4-8/h8,17H,1-7H2,(H2,14,15)
InChIKeyMVOUVABHCDZHAU-UHFFFAOYSA-N
XLogP1.93
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide (CID 77047243) is 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide is NC(CN(CCC(F)(F)F)C1CCCC1)=NO.
What is the InChIKey of 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide?
The InChIKey is MVOUVABHCDZHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O/c11-10(12,13)5-6-16(7-9(14)15-17)8-3-1-2-4-8/h8,17H,1-7H2,(H2,14,15).
What are the key properties of 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide?
2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide has a molecular weight of 253.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopentyl(3,3,3-trifluoropropyl)amino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 77047243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).